CID 20696774

5-bromo-2-isobutyl-1,3-thiazole

Structural Information

Molecular Formula

C₇H₁₀BrNS

SMILES

CC(C)CC1=NC=C(S1)Br

InChI

InChI=1S/C7H10BrNS/c1-5(2)3-7-9-4-6(8)10-7/h4-5H,3H2,1-2H3

InChIKey

GMHHPYKEMBVLTD-UHFFFAOYSA-N

Compound name

5-bromo-2-(2-methylpropyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 218.97173 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.97901	132.8
[M+Na]+	241.96095	135.1
[M+NH4]+	237.00555	138.5
[M+K]+	257.93489	135.3
[M-H]-	217.96445	133.0
[M+Na-2H]-	239.94640	135.3
[M]+	218.97118	132.3
[M]-	218.97228	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe